2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane

C13H22O4 — CID 10922725

IUPAC2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane
SMILESCOCC[C@@H]1C=C(C2(C)OCCO2)C[C@@H]1OC
InChIInChI=1S/C13H22O4/c1-13(16-6-7-17-13)11-8-10(4-5-14-2)12(9-11)15-3/h8,10,12H,4-7,9H2,1-3H3/t10-,12+/m1/s1
InChIKeyBOMOEJCWEYOMGK-PWSUYJOCSA-N
MW242.31 g/mol
LogP1.75
Rot. Bonds5

About 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane

2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane (PubChem CID 10922725) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane
PubChem CID10922725
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Name2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane
SMILESCOCC[C@@H]1C=C(C2(C)OCCO2)C[C@@H]1OC
InChIInChI=1S/C13H22O4/c1-13(16-6-7-17-13)11-8-10(4-5-14-2)12(9-11)15-3/h8,10,12H,4-7,9H2,1-3H3/t10-,12+/m1/s1
InChIKeyBOMOEJCWEYOMGK-PWSUYJOCSA-N
XLogP1.75
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane (CID 10922725) is 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane is COCC[C@@H]1C=C(C2(C)OCCO2)C[C@@H]1OC.
What is the InChIKey of 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane?
The InChIKey is BOMOEJCWEYOMGK-PWSUYJOCSA-N. The full InChI is InChI=1S/C13H22O4/c1-13(16-6-7-17-13)11-8-10(4-5-14-2)12(9-11)15-3/h8,10,12H,4-7,9H2,1-3H3/t10-,12+/m1/s1.
What are the key properties of 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane?
2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane has a molecular weight of 242.31 g/mol, XLogP of 1.75, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R,4S)-4-methoxy-3-(2-methoxyethyl)cyclopenten-1-yl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 10922725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).